C174H110N6O2S2 — CID 158318106
5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline (PubChem CID 158318106) has the molecular formula C174H110N6O2S2 and a molecular weight of 2380.97 g/mol. Its IUPAC name is 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline.
| Compound Name | 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline |
|---|---|
| PubChem CID | 158318106 |
| Molecular Formula | C174H110N6O2S2 |
| Molecular Weight | 2380.97 g/mol |
| Exact Mass | 2378.81 |
| IUPAC Name | 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ncccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ncccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ncccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)ccc2c1.c1coc(-c2c3ccccc3c(-c3ccco3)c3ncccc23)c1.c1csc(-c2c3ccccc3c(-c3cccs3)c3ncccc23)c1 |
| InChI | InChI=1S/C41H25N.2C33H21N.C25H17N.C21H13NO2.C21H13NS2/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)39-34-20-9-10-21-35(34)40(41-36(39)22-11-23-42-41)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-24-22(10-1)12-7-18-26(24)31-28-16-5-6-17-29(28)32(33-30(31)20-9-21-34-33)27-19-8-13-23-11-2-4-15-25(23)27;1-3-10-24-20-26(17-15-22(24)8-1)31-28-12-5-6-13-29(28)32(33-30(31)14-7-19-34-33)27-18-16-23-9-2-4-11-25(23)21-27;1-3-10-18(11-4-1)23-20-14-7-8-15-21(20)24(19-12-5-2-6-13-19)25-22(23)16-9-17-26-25;2*1-2-7-15-14(6-1)19(17-9-4-12-23-17)16-8-3-11-22-21(16)20(15)18-10-5-13-24-18/h1-25H;2*1-21H;1-17H;2*1-13H |
| InChIKey | GONADULGTLLPMT-UHFFFAOYSA-N |
| XLogP | 48.87 |
| TPSA | 103.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 184 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2380.97 |
| LogP ≤ 5 | 48.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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